(5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol

C10H16N2O2 — CID 54847511

IUPAC(5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol
SMILESCC(C)N1CCc2onc(CO)c2C1
InChIInChI=1S/C10H16N2O2/c1-7(2)12-4-3-10-8(5-12)9(6-13)11-14-10/h7,13H,3-6H2,1-2H3
InChIKeyNYPQNBWPCPGKCH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.93
Rot. Bonds2

About (5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol

(5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol (PubChem CID 54847511) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol.

Molecular Properties

Compound Name(5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol
PubChem CID54847511
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol
SMILESCC(C)N1CCc2onc(CO)c2C1
InChIInChI=1S/C10H16N2O2/c1-7(2)12-4-3-10-8(5-12)9(6-13)11-14-10/h7,13H,3-6H2,1-2H3
InChIKeyNYPQNBWPCPGKCH-UHFFFAOYSA-N
XLogP0.93
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol?
The IUPAC name of (5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol (CID 54847511) is (5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol.
What is the SMILES notation for (5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol?
The canonical SMILES for (5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol is CC(C)N1CCc2onc(CO)c2C1.
What is the InChIKey of (5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol?
The InChIKey is NYPQNBWPCPGKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)12-4-3-10-8(5-12)9(6-13)11-14-10/h7,13H,3-6H2,1-2H3.
What are the key properties of (5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol?
(5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol has a molecular weight of 196.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl)methanol is sourced from PubChem (CID 54847511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).